5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one

C26H32N6O3 — CID 155272599

IUPAC5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one
SMILESCCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2[C@@H]1CCCN(C2CCCOC2)C1
InChIInChI=1S/C26H32N6O3/c1-3-17-10-23-22(12-21(17)18-11-24(34-2)25-27-16-28-31(25)13-18)29-26(33)32(23)19-6-4-8-30(14-19)20-7-5-9-35-15-20/h10-13,16,19-20H,3-9,14-15H2,1-2H3,(H,29,33)/t19-,20?/m1/s1
InChIKeyHNFSPQKAOMVFME-FIWHBWSRSA-N
MW476.58 g/mol
LogP3.43
Rot. Bonds5

About 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one

5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one (PubChem CID 155272599) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one
PubChem CID155272599
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one
SMILESCCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2[C@@H]1CCCN(C2CCCOC2)C1
InChIInChI=1S/C26H32N6O3/c1-3-17-10-23-22(12-21(17)18-11-24(34-2)25-27-16-28-31(25)13-18)29-26(33)32(23)19-6-4-8-30(14-19)20-7-5-9-35-15-20/h10-13,16,19-20H,3-9,14-15H2,1-2H3,(H,29,33)/t19-,20?/m1/s1
InChIKeyHNFSPQKAOMVFME-FIWHBWSRSA-N
XLogP3.43
TPSA89.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one?
The IUPAC name of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one (CID 155272599) is 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one is CCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2[C@@H]1CCCN(C2CCCOC2)C1.
What is the InChIKey of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one?
The InChIKey is HNFSPQKAOMVFME-FIWHBWSRSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-17-10-23-22(12-21(17)18-11-24(34-2)25-27-16-28-31(25)13-18)29-26(33)32(23)19-6-4-8-30(14-19)20-7-5-9-35-15-20/h10-13,16,19-20H,3-9,14-15H2,1-2H3,(H,29,33)/t19-,20?/m1/s1.
What are the key properties of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one?
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one has a molecular weight of 476.58 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 155272599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).